Glycoside
GD015995
Name:
NoneFormula:
C50H76O15SSmiles:
CCC(C)[C@@H]1O[C@@]2(C=C[C@H]1C)C[C@@H]1C[C@H](CC=C(C)[C@H](O[C@@H]3C[C@H](OC)[C@H](O[C@@H]4C[C@H](OC)[C@H](S(=O)(=O)CC)[C@H](C)O4)[C@H](C)O3)[C@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2Aglycone:
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2.CCS(=O)(=O)C1C(C)OC(O)CC1OCSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 5.82 | Num_rotatable_bonds: | 10 |
| MolWt: | 949.21 | Num_heavy_atoms: | 66 |
| TPSA: | 183.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD00521
Formula: C34H48O8
Smiles:
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.68 |
| AlogP: | 4.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 584.75 | Num_heavy_atoms: | 42 |
| TPSA: | 114.68 | NumAromaticRings: | 0 |
AD11567
Formula: C9H18O5S
Smiles:
CCS(=O)(=O)C1C(C)OC(O)CC1OC| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 238.3 | Num_heavy_atoms: | 15 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
